 Entering Gaussian System, Link 0=g09
 Input=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/crystal_high_Zn_re_ligand_colIII_flipped_energy.com
 Output=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/crystal_high_Zn_re_ligand_colIII_flipped_energy.log
 Initial command:
 /home/long/gaussian/g09/l1.exe "/home/long/gaussian/Gau-1932.inp" -scrdir="/home/long/gaussian/"
 Entering Link 1 = /home/long/gaussian/g09/l1.exe PID=      1935.
  
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 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
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 Carnegie Mellon University). Gaussian is a federally registered
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 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
                20-Jun-2020 
 ******************************************
 %mem=6GB
 %chk=crystal_high_Zn_re_ligand_colIII_flipped_energy.chk
 --------------------------------------------
 # b3pw91/6-311++g(3df,3pd) geom=connectivity
 --------------------------------------------
 1/38=1,57=2/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=4,6=6,7=1616,11=2,16=1,25=1,30=1,74=-6/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 99/5=1,9=1/99;
 ----
 5h8x
 ----
 Symbolic Z-matrix:
 Charge =  1 Multiplicity = 1
 C                    -1   -4.07168   2.53999   3.55948 
 C                    0    -3.32981   1.18152   3.65347 
 C                    0    -2.0823    1.11121   2.81679 
 C                    0    -1.69676   0.25656   1.79477 
 N                    0    -1.00683   2.00124   2.97021 
 C                    0    -0.02947   1.66855   2.06463 
 N                    0    -0.41583   0.61218   1.33444 
 C                    -1   -5.23028   0.89873   0.14672 
 C                    0    -5.86722  -0.17244  -0.76564 
 C                    0    -5.23968  -1.57553  -0.57734 
 C                    0    -3.75742  -1.57389  -0.94266 
 O                    0    -3.36282  -1.07658  -2.04969 
 O                    0    -2.90996  -2.07241  -0.03832 
 C                    -1   -2.26739   4.23783  -2.98316 
 C                    0    -0.99439   3.84055  -3.75955 
 C                    0    -0.19276   2.76414  -3.07583 
 C                    0    -0.32116   2.12247  -1.85343 
 N                    0     0.93169   2.16832  -3.67306 
 C                    0     1.43058   1.20837  -2.82719 
 N                    0     0.69177   1.15846  -1.71038 
 C                    -1    4.68598   4.0033    1.4882 
 C                    0     5.1608    2.62495   1.99749 
 C                    0     4.19242   1.52559   1.65211 
 C                    0     3.2028    1.43262   0.68383 
 N                    0     4.13439   0.30159   2.33773 
 C                    0     3.13526  -0.46932   1.78774 
 N                    0     2.55445   0.19395   0.78233 
 Zn                   0     0.75944  -0.39487  -0.22331 
 H                    0    -4.98526   2.5156    4.16489 
 H                    0    -4.35355   2.76037   2.52394 
 H                    0    -3.45492   3.37039   3.93048 
 H                    0    -3.99786   0.37855   3.32404 
 H                    0    -3.08878   0.97214   4.70666 
 H                    0    -2.24861  -0.56504   1.36073 
 H                    0    -0.96669   2.76685   3.63025 
 H                    0     0.90825   2.1914    1.97392 
 H                    0    -4.16013   1.01049  -0.06909 
 H                    0    -5.3413    0.62646   1.2061 
 H                    0    -5.71118   1.87496  -0.00251 
 H                    0    -6.94597  -0.23465  -0.56341 
 H                    0    -5.74582   0.12133  -1.81552 
 H                    0    -5.3528   -1.92537   0.4552 
 H                    0    -5.75384  -2.29056  -1.23527 
 H                    0    -2.9366    3.37849  -2.85824 
 H                    0    -2.8132    5.01693  -3.52671 
 H                    0    -2.02084   4.63197  -1.9892 
 H                    0    -1.28208   3.49284  -4.76313 
 H                    0    -0.36554   4.73193  -3.90707 
 H                    0    -1.07473   2.26032  -1.09649 
 H                    0     1.29551   2.39181  -4.59079 
 H                    0     2.26583   0.56268  -3.04207 
 H                    0     4.57996   4.0092    0.39659 
 H                    0     3.7202    4.27751   1.92944 
 H                    0     5.41368   4.77823   1.75361 
 H                    0     5.29646   2.66712   3.0882 
 H                    0     6.14998   2.40233   1.57091 
 H                    0     2.91546   2.15579  -0.06125 
 H                    0     4.72165   0.03675   3.11856 
 H                    0     2.84433  -1.44995   2.1269 
 O                    0    -0.79237  -1.39341  -1.07002 
 H                    0    -1.22754  -1.05551  -1.88636 
 H                    0    -1.65771  -1.78391  -0.51807 
 C                    0     2.98275  -2.51787  -1.5799 
 O                    0     2.28272  -1.46794  -1.70419 
 N                    0     2.44038  -3.71063  -1.18986 
 C                    0     1.00344  -3.90008  -0.97619 
 C                    0     0.52521  -3.44035   0.40889 
 O                    0     0.98945  -2.36982   0.92679 
 N                    0    -0.44869  -4.17781   0.9825 
 H                    0     0.45005  -3.26418  -1.67914 
 H                    0     0.75047  -4.94894  -1.1639 
 H                    0     3.05554  -4.50557  -1.06494 
 H                    0    -0.80406  -4.98166   0.47496 
 C                    0    -1.21373  -3.74757   2.16913 
 H                    0    -1.37167  -4.60159   2.83576 
 H                    0    -0.64151  -2.97842   2.69171 
 H                    0    -2.1737   -3.32858   1.84519 
 C                    0     4.46995  -2.51088  -1.88428 
 H                    0     4.61641  -2.32745  -2.95534 
 H                    0     4.94282  -1.68647  -1.34117 
 H                    0     4.96965  -3.44888  -1.62136 
 
 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.071676   -2.539987   -3.559478
      2          6           0       -3.329812   -1.181516   -3.653466
      3          6           0       -2.082303   -1.111211   -2.816788
      4          6           0       -1.696757   -0.256559   -1.794772
      5          7           0       -1.006829   -2.001244   -2.970207
      6          6           0       -0.029467   -1.668554   -2.064629
      7          7           0       -0.415828   -0.612177   -1.334444
      8          6           0       -5.230281   -0.898731   -0.146722
      9          6           0       -5.867219    0.172435    0.765642
     10          6           0       -5.239680    1.575533    0.577339
     11          6           0       -3.757422    1.573892    0.942664
     12          8           0       -3.362825    1.076580    2.049695
     13          8           0       -2.909955    2.072415    0.038320
     14          6           0       -2.267388   -4.237826    2.983161
     15          6           0       -0.994394   -3.840552    3.759546
     16          6           0       -0.192763   -2.764138    3.075825
     17          6           0       -0.321159   -2.122473    1.853426
     18          7           0        0.931688   -2.168319    3.673058
     19          6           0        1.430576   -1.208368    2.827193
     20          7           0        0.691770   -1.158458    1.710377
     21          6           0        4.685979   -4.003301   -1.488201
     22          6           0        5.160803   -2.624947   -1.997493
     23          6           0        4.192422   -1.525585   -1.652107
     24          6           0        3.202803   -1.432622   -0.683826
     25          7           0        4.134390   -0.301592   -2.337730
     26          6           0        3.135265    0.469318   -1.787738
     27          7           0        2.554454   -0.193950   -0.782327
     28         30           0        0.759440    0.394874    0.223311
     29          1           0       -4.985264   -2.515603   -4.164890
     30          1           0       -4.353547   -2.760373   -2.523943
     31          1           0       -3.454918   -3.370391   -3.930479
     32          1           0       -3.997861   -0.378548   -3.324042
     33          1           0       -3.088776   -0.972144   -4.706657
     34          1           0       -2.248610    0.565040   -1.360734
     35          1           0       -0.966688   -2.766845   -3.630251
     36          1           0        0.908249   -2.191398   -1.973915
     37          1           0       -4.160131   -1.010489    0.069086
     38          1           0       -5.341301   -0.626459   -1.206095
     39          1           0       -5.711178   -1.874956    0.002507
     40          1           0       -6.945967    0.234649    0.563409
     41          1           0       -5.745818   -0.121329    1.815520
     42          1           0       -5.352802    1.925368   -0.455199
     43          1           0       -5.753839    2.290563    1.235269
     44          1           0       -2.936600   -3.378492    2.858238
     45          1           0       -2.813195   -5.016926    3.526705
     46          1           0       -2.020838   -4.631973    1.989202
     47          1           0       -1.282077   -3.492841    4.763131
     48          1           0       -0.365544   -4.731931    3.907066
     49          1           0       -1.074730   -2.260315    1.096491
     50          1           0        1.295512   -2.391806    4.590795
     51          1           0        2.265832   -0.562675    3.042068
     52          1           0        4.579957   -4.009197   -0.396592
     53          1           0        3.720203   -4.277514   -1.929444
     54          1           0        5.413682   -4.778232   -1.753614
     55          1           0        5.296461   -2.667124   -3.088195
     56          1           0        6.149984   -2.402328   -1.570906
     57          1           0        2.915463   -2.155795    0.061252
     58          1           0        4.721652   -0.036754   -3.118556
     59          1           0        2.844333    1.449946   -2.126901
     60          8           0       -0.792369    1.393411    1.070020
     61          1           0       -1.227535    1.055513    1.886360
     62          1           0       -1.657711    1.783912    0.518072
     63          6           0        2.982754    2.517874    1.579896
     64          8           0        2.282721    1.467935    1.704189
     65          7           0        2.440382    3.710626    1.189861
     66          6           0        1.003443    3.900075    0.976185
     67          6           0        0.525210    3.440349   -0.408889
     68          8           0        0.989446    2.369824   -0.926792
     69          7           0       -0.448690    4.177811   -0.982495
     70          1           0        0.450045    3.264179    1.679137
     71          1           0        0.750472    4.948939    1.163896
     72          1           0        3.055537    4.505569    1.064943
     73          1           0       -0.804058    4.981658   -0.474959
     74          6           0       -1.213728    3.747568   -2.169125
     75          1           0       -1.371671    4.601591   -2.835757
     76          1           0       -0.641506    2.978416   -2.691711
     77          1           0       -2.173700    3.328579   -1.845188
     78          6           0        4.469945    2.510876    1.884282
     79          1           0        4.616405    2.327449    2.955342
     80          1           0        4.942818    1.686474    1.341170
     81          1           0        4.969650    3.448880    1.621360
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968764      0.0727466      0.0660113
 Standard basis: 6-311++G(3df,3pd) (5D, 7F)
 There are  2582 symmetry adapted cartesian basis functions of A   symmetry.
 There are  2298 symmetry adapted basis functions of A   symmetry.
  2298 basis functions,  3178 primitive gaussians,  2582 cartesian basis functions
   156 alpha electrons      156 beta electrons
       nuclear repulsion energy      5624.1501074236 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  2298 RedAO= T EigKep=  1.14D-06  NBF=  2298
 NBsUse=  2294 1.00D-06 EigRej=  7.60D-07 NBFU=  2294
 ExpMin= 1.53D-02 ExpMax= 3.16D+05 ExpMxC= 1.12D+04 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  408 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  408 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Restarting incremental Fock formation.
 Restarting incremental Fock formation.
 SCF Done:  E(RB3PW91) =  -3533.83411807     A.U. after   50 cycles
            NFock= 50  Conv=0.62D-09     -V/T= 2.0034

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -347.26304 -42.21769 -37.21850 -37.21834 -37.21662
 Alpha  occ. eigenvalues --  -19.19303 -19.19033 -19.16046 -19.12874 -19.11242
 Alpha  occ. eigenvalues --  -14.47716 -14.46385 -14.46088 -14.45183 -14.44469
 Alpha  occ. eigenvalues --  -14.42454 -14.41406 -14.40918 -10.38011 -10.37436
 Alpha  occ. eigenvalues --  -10.33306 -10.32230 -10.32040 -10.31248 -10.31044
 Alpha  occ. eigenvalues --  -10.30566 -10.29767 -10.29020 -10.28762 -10.27741
 Alpha  occ. eigenvalues --  -10.27408 -10.27194 -10.26889 -10.26218 -10.26170
 Alpha  occ. eigenvalues --  -10.25680 -10.24996 -10.23350 -10.23191 -10.20492
 Alpha  occ. eigenvalues --  -10.20461 -10.19970  -4.87194  -3.26556  -3.26545
 Alpha  occ. eigenvalues --   -3.26253  -1.13893  -1.12723  -1.12547  -1.11253
 Alpha  occ. eigenvalues --   -1.10807  -1.07917  -1.03918  -1.03475  -1.02645
 Alpha  occ. eigenvalues --   -0.98887  -0.98448  -0.97573  -0.97082  -0.90115
 Alpha  occ. eigenvalues --   -0.88530  -0.87974  -0.87156  -0.83446  -0.83253
 Alpha  occ. eigenvalues --   -0.82897  -0.81807  -0.81593  -0.78197  -0.74735
 Alpha  occ. eigenvalues --   -0.74551  -0.73210  -0.72980  -0.72691  -0.71887
 Alpha  occ. eigenvalues --   -0.70883  -0.70552  -0.69421  -0.69153  -0.68262
 Alpha  occ. eigenvalues --   -0.67927  -0.65153  -0.64699  -0.63429  -0.63070
 Alpha  occ. eigenvalues --   -0.62896  -0.61042  -0.59462  -0.58383  -0.57531
 Alpha  occ. eigenvalues --   -0.57366  -0.56710  -0.56388  -0.56038  -0.55607
 Alpha  occ. eigenvalues --   -0.55442  -0.55163  -0.55123  -0.54914  -0.54516
 Alpha  occ. eigenvalues --   -0.54440  -0.54070  -0.53982  -0.53756  -0.53524
 Alpha  occ. eigenvalues --   -0.53000  -0.52787  -0.52568  -0.52480  -0.51882
 Alpha  occ. eigenvalues --   -0.51718  -0.51614  -0.51454  -0.51367  -0.50924
 Alpha  occ. eigenvalues --   -0.50763  -0.50258  -0.49899  -0.49616  -0.49042
 Alpha  occ. eigenvalues --   -0.48149  -0.47645  -0.47277  -0.46736  -0.46505
 Alpha  occ. eigenvalues --   -0.46351  -0.46017  -0.45772  -0.45646  -0.45483
 Alpha  occ. eigenvalues --   -0.45013  -0.44506  -0.44153  -0.43937  -0.43562
 Alpha  occ. eigenvalues --   -0.43311  -0.42696  -0.41184  -0.40700  -0.39739
 Alpha  occ. eigenvalues --   -0.39654  -0.39316  -0.39003  -0.38537  -0.38161
 Alpha  occ. eigenvalues --   -0.38006  -0.37542  -0.36580  -0.36120  -0.35938
 Alpha  occ. eigenvalues --   -0.34202  -0.32823  -0.32194  -0.31514  -0.31265
 Alpha  occ. eigenvalues --   -0.29175
 Alpha virt. eigenvalues --   -0.11442  -0.10626  -0.09850  -0.09591  -0.09315
 Alpha virt. eigenvalues --   -0.09215  -0.08759  -0.08091  -0.08032  -0.07502
 Alpha virt. eigenvalues --   -0.06958  -0.06905  -0.06249  -0.05982  -0.05666
 Alpha virt. eigenvalues --   -0.05534  -0.05417  -0.04666  -0.04621  -0.04532
 Alpha virt. eigenvalues --   -0.04191  -0.03980  -0.03816  -0.03633  -0.03218
 Alpha virt. eigenvalues --   -0.02961  -0.02882  -0.02632  -0.02420  -0.02291
 Alpha virt. eigenvalues --   -0.02212  -0.01808  -0.01555  -0.01388  -0.01220
 Alpha virt. eigenvalues --   -0.01119  -0.00891  -0.00816  -0.00406  -0.00161
 Alpha virt. eigenvalues --   -0.00102   0.00181   0.00255   0.00620   0.00702
 Alpha virt. eigenvalues --    0.01003   0.01122   0.01363   0.01497   0.01655
 Alpha virt. eigenvalues --    0.01889   0.01987   0.02158   0.02427   0.02620
 Alpha virt. eigenvalues --    0.02670   0.02889   0.02940   0.03169   0.03272
 Alpha virt. eigenvalues --    0.03477   0.03561   0.03724   0.03952   0.04059
 Alpha virt. eigenvalues --    0.04158   0.04261   0.04331   0.04529   0.04918
 Alpha virt. eigenvalues --    0.04930   0.05066   0.05129   0.05200   0.05406
 Alpha virt. eigenvalues --    0.05447   0.05740   0.05910   0.05952   0.06036
 Alpha virt. eigenvalues --    0.06264   0.06356   0.06623   0.06678   0.06873
 Alpha virt. eigenvalues --    0.07078   0.07121   0.07342   0.07408   0.07509
 Alpha virt. eigenvalues --    0.07676   0.07779   0.07845   0.08062   0.08181
 Alpha virt. eigenvalues --    0.08247   0.08337   0.08478   0.08624   0.08820
 Alpha virt. eigenvalues --    0.08865   0.08980   0.09106   0.09231   0.09302
 Alpha virt. eigenvalues --    0.09510   0.09561   0.09696   0.09788   0.10007
 Alpha virt. eigenvalues --    0.10087   0.10237   0.10329   0.10470   0.10519
 Alpha virt. eigenvalues --    0.10640   0.10718   0.10877   0.10939   0.11054
 Alpha virt. eigenvalues --    0.11196   0.11289   0.11446   0.11708   0.11799
 Alpha virt. eigenvalues --    0.12043   0.12132   0.12256   0.12321   0.12501
 Alpha virt. eigenvalues --    0.12720   0.12964   0.13082   0.13184   0.13326
 Alpha virt. eigenvalues --    0.13480   0.13685   0.13766   0.14004   0.14068
 Alpha virt. eigenvalues --    0.14298   0.14399   0.14552   0.14727   0.14925
 Alpha virt. eigenvalues --    0.15056   0.15284   0.15330   0.15616   0.15734
 Alpha virt. eigenvalues --    0.15851   0.15907   0.16127   0.16219   0.16368
 Alpha virt. eigenvalues --    0.16638   0.16684   0.16837   0.17158   0.17173
 Alpha virt. eigenvalues --    0.17306   0.17507   0.17731   0.17908   0.17938
 Alpha virt. eigenvalues --    0.18186   0.18353   0.18408   0.18568   0.18700
 Alpha virt. eigenvalues --    0.18920   0.18944   0.19291   0.19414   0.19638
 Alpha virt. eigenvalues --    0.19939   0.20157   0.20242   0.20441   0.20679
 Alpha virt. eigenvalues --    0.20702   0.20796   0.20855   0.21040   0.21271
 Alpha virt. eigenvalues --    0.21531   0.21566   0.21708   0.21909   0.22116
 Alpha virt. eigenvalues --    0.22257   0.22441   0.22498   0.22563   0.22806
 Alpha virt. eigenvalues --    0.22835   0.23039   0.23244   0.23357   0.23451
 Alpha virt. eigenvalues --    0.23691   0.23954   0.24153   0.24172   0.24591
 Alpha virt. eigenvalues --    0.24646   0.24768   0.24925   0.25012   0.25127
 Alpha virt. eigenvalues --    0.25256   0.25346   0.25558   0.25687   0.25792
 Alpha virt. eigenvalues --    0.26192   0.26384   0.26504   0.26589   0.26713
 Alpha virt. eigenvalues --    0.26747   0.26976   0.27118   0.27258   0.27429
 Alpha virt. eigenvalues --    0.27668   0.27770   0.27879   0.27894   0.28342
 Alpha virt. eigenvalues --    0.28542   0.28730   0.28874   0.29120   0.29204
 Alpha virt. eigenvalues --    0.29247   0.29483   0.29661   0.29802   0.30094
 Alpha virt. eigenvalues --    0.30144   0.30718   0.30733   0.30846   0.31211
 Alpha virt. eigenvalues --    0.31303   0.31444   0.31637   0.31935   0.32133
 Alpha virt. eigenvalues --    0.32334   0.32473   0.32655   0.32715   0.32848
 Alpha virt. eigenvalues --    0.32927   0.33246   0.33437   0.33571   0.33669
 Alpha virt. eigenvalues --    0.33997   0.34129   0.34292   0.34396   0.34682
 Alpha virt. eigenvalues --    0.34968   0.35018   0.35300   0.35434   0.35575
 Alpha virt. eigenvalues --    0.35799   0.36009   0.36172   0.36579   0.36689
 Alpha virt. eigenvalues --    0.36868   0.37089   0.37254   0.37378   0.37476
 Alpha virt. eigenvalues --    0.37582   0.37702   0.37957   0.38112   0.38427
 Alpha virt. eigenvalues --    0.38594   0.38881   0.39280   0.39388   0.39441
 Alpha virt. eigenvalues --    0.39730   0.40038   0.40182   0.40296   0.40658
 Alpha virt. eigenvalues --    0.40786   0.40913   0.41136   0.41328   0.41545
 Alpha virt. eigenvalues --    0.41664   0.41980   0.42242   0.42413   0.42456
 Alpha virt. eigenvalues --    0.42642   0.42891   0.43170   0.43318   0.43502
 Alpha virt. eigenvalues --    0.43718   0.43825   0.44055   0.44244   0.44434
 Alpha virt. eigenvalues --    0.44559   0.44739   0.44860   0.44960   0.45257
 Alpha virt. eigenvalues --    0.45318   0.45534   0.45592   0.45965   0.46012
 Alpha virt. eigenvalues --    0.46307   0.46407   0.46672   0.46746   0.47227
 Alpha virt. eigenvalues --    0.47300   0.47591   0.47668   0.48021   0.48040
 Alpha virt. eigenvalues --    0.48073   0.48223   0.48553   0.48741   0.48781
 Alpha virt. eigenvalues --    0.48875   0.49062   0.49263   0.49450   0.49641
 Alpha virt. eigenvalues --    0.49785   0.49890   0.50053   0.50294   0.50435
 Alpha virt. eigenvalues --    0.50674   0.50977   0.51169   0.51232   0.51458
 Alpha virt. eigenvalues --    0.51525   0.51713   0.51951   0.52009   0.52214
 Alpha virt. eigenvalues --    0.52402   0.52557   0.52665   0.52810   0.53154
 Alpha virt. eigenvalues --    0.53327   0.53378   0.53606   0.53760   0.53851
 Alpha virt. eigenvalues --    0.54011   0.54290   0.54351   0.54588   0.54850
 Alpha virt. eigenvalues --    0.55038   0.55146   0.55301   0.55542   0.55570
 Alpha virt. eigenvalues --    0.55688   0.55809   0.55883   0.56389   0.56624
 Alpha virt. eigenvalues --    0.56776   0.56907   0.57130   0.57244   0.57456
 Alpha virt. eigenvalues --    0.57682   0.57958   0.58217   0.58378   0.58501
 Alpha virt. eigenvalues --    0.58652   0.58958   0.59207   0.59312   0.59412
 Alpha virt. eigenvalues --    0.59626   0.59789   0.60015   0.60229   0.60364
 Alpha virt. eigenvalues --    0.60544   0.60691   0.60732   0.61278   0.61476
 Alpha virt. eigenvalues --    0.61724   0.61913   0.62132   0.62350   0.62552
 Alpha virt. eigenvalues --    0.62710   0.62751   0.62973   0.63181   0.63408
 Alpha virt. eigenvalues --    0.63702   0.63822   0.64101   0.64458   0.64484
 Alpha virt. eigenvalues --    0.64689   0.64896   0.65009   0.65438   0.65638
 Alpha virt. eigenvalues --    0.65885   0.66025   0.66256   0.66422   0.66592
 Alpha virt. eigenvalues --    0.66718   0.66988   0.67170   0.67457   0.67631
 Alpha virt. eigenvalues --    0.67743   0.67990   0.68148   0.68307   0.68491
 Alpha virt. eigenvalues --    0.68590   0.68842   0.69094   0.69262   0.69539
 Alpha virt. eigenvalues --    0.69743   0.69844   0.69963   0.70018   0.70204
 Alpha virt. eigenvalues --    0.70706   0.70831   0.71102   0.71307   0.71338
 Alpha virt. eigenvalues --    0.71768   0.71902   0.72193   0.72254   0.72592
 Alpha virt. eigenvalues --    0.72752   0.72838   0.73146   0.73285   0.73600
 Alpha virt. eigenvalues --    0.73857   0.74010   0.74239   0.74359   0.74582
 Alpha virt. eigenvalues --    0.74718   0.75022   0.75156   0.75522   0.75675
 Alpha virt. eigenvalues --    0.76052   0.76225   0.76285   0.76335   0.76512
 Alpha virt. eigenvalues --    0.76827   0.77095   0.77139   0.77450   0.77493
 Alpha virt. eigenvalues --    0.77664   0.77758   0.78046   0.78151   0.78489
 Alpha virt. eigenvalues --    0.78783   0.78921   0.79035   0.79121   0.79513
 Alpha virt. eigenvalues --    0.79573   0.79823   0.80087   0.80335   0.80451
 Alpha virt. eigenvalues --    0.80550   0.80676   0.81097   0.81262   0.81804
 Alpha virt. eigenvalues --    0.81934   0.82174   0.82244   0.82584   0.82591
 Alpha virt. eigenvalues --    0.82799   0.83060   0.83138   0.83305   0.83685
 Alpha virt. eigenvalues --    0.83809   0.84042   0.84228   0.84381   0.84608
 Alpha virt. eigenvalues --    0.84865   0.85184   0.85335   0.85520   0.85700
 Alpha virt. eigenvalues --    0.85867   0.86072   0.86333   0.86458   0.86824
 Alpha virt. eigenvalues --    0.86932   0.87085   0.87377   0.87743   0.88105
 Alpha virt. eigenvalues --    0.88135   0.88371   0.88533   0.88638   0.88836
 Alpha virt. eigenvalues --    0.89212   0.89312   0.89516   0.89641   0.89806
 Alpha virt. eigenvalues --    0.90062   0.90183   0.90208   0.90594   0.90732
 Alpha virt. eigenvalues --    0.90928   0.91181   0.91588   0.91685   0.91920
 Alpha virt. eigenvalues --    0.92436   0.92520   0.92608   0.93016   0.93126
 Alpha virt. eigenvalues --    0.93222   0.93394   0.94112   0.94209   0.94245
 Alpha virt. eigenvalues --    0.94630   0.94698   0.94966   0.95172   0.95371
 Alpha virt. eigenvalues --    0.95466   0.95701   0.95886   0.96018   0.96489
 Alpha virt. eigenvalues --    0.96504   0.96773   0.96864   0.97376   0.97485
 Alpha virt. eigenvalues --    0.97615   0.97639   0.97811   0.98115   0.98438
 Alpha virt. eigenvalues --    0.98524   0.98792   0.98987   0.99211   0.99412
 Alpha virt. eigenvalues --    0.99528   0.99914   0.99956   1.00620   1.00811
 Alpha virt. eigenvalues --    1.01041   1.01056   1.01500   1.01697   1.02033
 Alpha virt. eigenvalues --    1.02208   1.02410   1.02565   1.02804   1.02892
 Alpha virt. eigenvalues --    1.02967   1.03301   1.03770   1.03964   1.04173
 Alpha virt. eigenvalues --    1.04439   1.04935   1.05090   1.05330   1.05649
 Alpha virt. eigenvalues --    1.05967   1.06117   1.06524   1.06594   1.06961
 Alpha virt. eigenvalues --    1.07347   1.07674   1.07853   1.07955   1.08226
 Alpha virt. eigenvalues --    1.08355   1.08754   1.09173   1.09320   1.09599
 Alpha virt. eigenvalues --    1.09880   1.10249   1.10431   1.10552   1.10772
 Alpha virt. eigenvalues --    1.10975   1.11041   1.11531   1.11920   1.12204
 Alpha virt. eigenvalues --    1.12427   1.12881   1.13248   1.13661   1.13833
 Alpha virt. eigenvalues --    1.14180   1.14682   1.14941   1.15339   1.15618
 Alpha virt. eigenvalues --    1.15740   1.16185   1.16263   1.16590   1.17161
 Alpha virt. eigenvalues --    1.17401   1.17629   1.17996   1.18266   1.18595
 Alpha virt. eigenvalues --    1.18867   1.19144   1.19284   1.19482   1.19554
 Alpha virt. eigenvalues --    1.20094   1.20898   1.21127   1.21538   1.21873
 Alpha virt. eigenvalues --    1.21948   1.22334   1.22607   1.22863   1.23302
 Alpha virt. eigenvalues --    1.23919   1.24620   1.25011   1.25141   1.25552
 Alpha virt. eigenvalues --    1.25957   1.26138   1.26540   1.27155   1.27392
 Alpha virt. eigenvalues --    1.27635   1.28036   1.28198   1.28724   1.29078
 Alpha virt. eigenvalues --    1.30074   1.30580   1.30723   1.31004   1.31128
 Alpha virt. eigenvalues --    1.32186   1.32361   1.32548   1.32754   1.33386
 Alpha virt. eigenvalues --    1.33593   1.33695   1.34785   1.35016   1.35029
 Alpha virt. eigenvalues --    1.35405   1.35593   1.35821   1.36213   1.36970
 Alpha virt. eigenvalues --    1.37251   1.37668   1.37760   1.38238   1.38826
 Alpha virt. eigenvalues --    1.39124   1.39683   1.39977   1.40802   1.41321
 Alpha virt. eigenvalues --    1.41713   1.42023   1.42193   1.42587   1.43183
 Alpha virt. eigenvalues --    1.44069   1.44414   1.44811   1.45304   1.45516
 Alpha virt. eigenvalues --    1.45953   1.46220   1.46340   1.46858   1.47354
 Alpha virt. eigenvalues --    1.48059   1.48877   1.49405   1.49615   1.50045
 Alpha virt. eigenvalues --    1.50558   1.50853   1.50932   1.51278   1.51553
 Alpha virt. eigenvalues --    1.51735   1.52054   1.53205   1.53501   1.53851
 Alpha virt. eigenvalues --    1.54291   1.54508   1.55092   1.55501   1.55595
 Alpha virt. eigenvalues --    1.56207   1.56637   1.56930   1.57782   1.57808
 Alpha virt. eigenvalues --    1.57984   1.58394   1.58887   1.59334   1.59849
 Alpha virt. eigenvalues --    1.60286   1.60502   1.60796   1.60927   1.61403
 Alpha virt. eigenvalues --    1.61800   1.62186   1.62447   1.62838   1.63153
 Alpha virt. eigenvalues --    1.63385   1.63729   1.64170   1.64396   1.64681
 Alpha virt. eigenvalues --    1.64943   1.65628   1.66182   1.66339   1.66634
 Alpha virt. eigenvalues --    1.66890   1.67489   1.67685   1.67878   1.68235
 Alpha virt. eigenvalues --    1.68524   1.68697   1.69094   1.69300   1.70107
 Alpha virt. eigenvalues --    1.70118   1.70611   1.70815   1.71019   1.71496
 Alpha virt. eigenvalues --    1.71800   1.71942   1.72195   1.72602   1.72806
 Alpha virt. eigenvalues --    1.73152   1.73470   1.73858   1.74150   1.74266
 Alpha virt. eigenvalues --    1.74430   1.74717   1.75066   1.75683   1.75730
 Alpha virt. eigenvalues --    1.75870   1.76196   1.76711   1.76846   1.77224
 Alpha virt. eigenvalues --    1.77461   1.77706   1.78438   1.78771   1.78868
 Alpha virt. eigenvalues --    1.79271   1.79341   1.79563   1.79846   1.80506
 Alpha virt. eigenvalues --    1.80674   1.80874   1.81230   1.81732   1.81819
 Alpha virt. eigenvalues --    1.81955   1.82576   1.83237   1.83262   1.83765
 Alpha virt. eigenvalues --    1.83894   1.84198   1.84555   1.84664   1.84771
 Alpha virt. eigenvalues --    1.85019   1.85192   1.85738   1.86180   1.86777
 Alpha virt. eigenvalues --    1.87040   1.87241   1.87332   1.87840   1.87931
 Alpha virt. eigenvalues --    1.88102   1.88468   1.88742   1.89166   1.89798
 Alpha virt. eigenvalues --    1.90132   1.90520   1.90861   1.91576   1.91804
 Alpha virt. eigenvalues --    1.91988   1.92321   1.92597   1.92742   1.93103
 Alpha virt. eigenvalues --    1.93251   1.93805   1.93983   1.94110   1.94461
 Alpha virt. eigenvalues --    1.95087   1.95424   1.95935   1.96216   1.96599
 Alpha virt. eigenvalues --    1.97118   1.97334   1.97487   1.98114   1.98165
 Alpha virt. eigenvalues --    1.98744   1.99017   1.99354   1.99500   1.99979
 Alpha virt. eigenvalues --    2.00361   2.00515   2.00950   2.01351   2.01662
 Alpha virt. eigenvalues --    2.01929   2.02326   2.02611   2.03669   2.03965
 Alpha virt. eigenvalues --    2.04017   2.04587   2.04871   2.05313   2.05487
 Alpha virt. eigenvalues --    2.06402   2.06650   2.06916   2.07470   2.07672
 Alpha virt. eigenvalues --    2.08363   2.08474   2.08839   2.09629   2.09888
 Alpha virt. eigenvalues --    2.10382   2.10907   2.11316   2.11637   2.11944
 Alpha virt. eigenvalues --    2.12042   2.12585   2.13171   2.13315   2.13962
 Alpha virt. eigenvalues --    2.14182   2.14913   2.15530   2.15863   2.16339
 Alpha virt. eigenvalues --    2.16797   2.16989   2.17405   2.17836   2.18260
 Alpha virt. eigenvalues --    2.18696   2.19003   2.19582   2.19670   2.20271
 Alpha virt. eigenvalues --    2.20785   2.21476   2.21665   2.22217   2.22689
 Alpha virt. eigenvalues --    2.23137   2.23874   2.24022   2.24747   2.25052
 Alpha virt. eigenvalues --    2.26024   2.26205   2.26598   2.26960   2.27528
 Alpha virt. eigenvalues --    2.27977   2.28184   2.28602   2.29150   2.29612
 Alpha virt. eigenvalues --    2.30169   2.30502   2.30973   2.31047   2.31793
 Alpha virt. eigenvalues --    2.32132   2.32390   2.32856   2.33078   2.33403
 Alpha virt. eigenvalues --    2.34253   2.34339   2.34693   2.35244   2.35603
 Alpha virt. eigenvalues --    2.36082   2.36792   2.37005   2.37294   2.38063
 Alpha virt. eigenvalues --    2.38289   2.38468   2.38698   2.38977   2.39286
 Alpha virt. eigenvalues --    2.39683   2.40069   2.40631   2.41001   2.41741
 Alpha virt. eigenvalues --    2.42376   2.42410   2.43399   2.43589   2.43687
 Alpha virt. eigenvalues --    2.43986   2.44307   2.44632   2.45678   2.45897
 Alpha virt. eigenvalues --    2.46210   2.47234   2.47548   2.47958   2.48537
 Alpha virt. eigenvalues --    2.49114   2.49176   2.49960   2.50250   2.50429
 Alpha virt. eigenvalues --    2.50651   2.50783   2.51652   2.52417   2.52633
 Alpha virt. eigenvalues --    2.52940   2.53246   2.53712   2.54646   2.54859
 Alpha virt. eigenvalues --    2.55226   2.55618   2.55778   2.56047   2.56619
 Alpha virt. eigenvalues --    2.57214   2.57483   2.57821   2.57940   2.58320
 Alpha virt. eigenvalues --    2.58688   2.59112   2.59485   2.59623   2.60115
 Alpha virt. eigenvalues --    2.60274   2.60652   2.61406   2.62270   2.62417
 Alpha virt. eigenvalues --    2.62708   2.63024   2.63308   2.63409   2.63628
 Alpha virt. eigenvalues --    2.64087   2.64388   2.64515   2.65707   2.65881
 Alpha virt. eigenvalues --    2.66188   2.66260   2.66492   2.67115   2.67639
 Alpha virt. eigenvalues --    2.67932   2.68018   2.68653   2.68732   2.69439
 Alpha virt. eigenvalues --    2.69545   2.69965   2.70154   2.70763   2.71497
 Alpha virt. eigenvalues --    2.72117   2.72186   2.72573   2.72706   2.72911
 Alpha virt. eigenvalues --    2.73141   2.73622   2.73916   2.74360   2.74601
 Alpha virt. eigenvalues --    2.74616   2.75221   2.75693   2.76257   2.76648
 Alpha virt. eigenvalues --    2.76885   2.77221   2.77613   2.77886   2.78128
 Alpha virt. eigenvalues --    2.78669   2.79293   2.79948   2.80060   2.80200
 Alpha virt. eigenvalues --    2.80659   2.81070   2.81574   2.81747   2.82113
 Alpha virt. eigenvalues --    2.82760   2.83016   2.83172   2.83881   2.84091
 Alpha virt. eigenvalues --    2.84630   2.84980   2.85148   2.85617   2.86603
 Alpha virt. eigenvalues --    2.86937   2.87308   2.87359   2.87765   2.88306
 Alpha virt. eigenvalues --    2.88479   2.88754   2.89184   2.89438   2.89836
 Alpha virt. eigenvalues --    2.90002   2.90509   2.90665   2.90952   2.91075
 Alpha virt. eigenvalues --    2.91401   2.92031   2.92334   2.92676   2.92846
 Alpha virt. eigenvalues --    2.93103   2.93257   2.93502   2.93664   2.94162
 Alpha virt. eigenvalues --    2.94312   2.94470   2.94904   2.95124   2.95553
 Alpha virt. eigenvalues --    2.95805   2.96212   2.96325   2.96519   2.96872
 Alpha virt. eigenvalues --    2.96977   2.97409   2.97684   2.97846   2.98264
 Alpha virt. eigenvalues --    2.98507   2.98848   2.99182   2.99398   2.99972
 Alpha virt. eigenvalues --    3.00214   3.00666   3.00906   3.01197   3.01380
 Alpha virt. eigenvalues --    3.01555   3.01941   3.02309   3.02642   3.02863
 Alpha virt. eigenvalues --    3.03206   3.03574   3.03649   3.04038   3.04243
 Alpha virt. eigenvalues --    3.04660   3.05120   3.05236   3.05384   3.05670
 Alpha virt. eigenvalues --    3.06042   3.06187   3.06763   3.06850   3.07076
 Alpha virt. eigenvalues --    3.07567   3.07943   3.08162   3.08290   3.08914
 Alpha virt. eigenvalues --    3.09119   3.09607   3.09935   3.10106   3.10417
 Alpha virt. eigenvalues --    3.10584   3.10952   3.11180   3.11551   3.11922
 Alpha virt. eigenvalues --    3.12222   3.12419   3.12646   3.12798   3.13151
 Alpha virt. eigenvalues --    3.13385   3.13708   3.14363   3.14507   3.14852
 Alpha virt. eigenvalues --    3.15123   3.15358   3.15619   3.15757   3.16170
 Alpha virt. eigenvalues --    3.16376   3.16772   3.17019   3.17317   3.18030
 Alpha virt. eigenvalues --    3.18047   3.18625   3.18804   3.19077   3.19533
 Alpha virt. eigenvalues --    3.19721   3.20185   3.20282   3.20840   3.21127
 Alpha virt. eigenvalues --    3.21576   3.21846   3.22007   3.22332   3.22918
 Alpha virt. eigenvalues --    3.23285   3.23543   3.24009   3.24188   3.24499
 Alpha virt. eigenvalues --    3.24842   3.25079   3.25679   3.25976   3.26282
 Alpha virt. eigenvalues --    3.26407   3.26745   3.27291   3.27557   3.28109
 Alpha virt. eigenvalues --    3.28155   3.28557   3.29148   3.29239   3.29723
 Alpha virt. eigenvalues --    3.29838   3.30496   3.30822   3.31454   3.31550
 Alpha virt. eigenvalues --    3.31836   3.32360   3.32554   3.32741   3.33813
 Alpha virt. eigenvalues --    3.34268   3.34667   3.35045   3.35345   3.35574
 Alpha virt. eigenvalues --    3.36011   3.36191   3.37102   3.37309   3.37409
 Alpha virt. eigenvalues --    3.38007   3.38216   3.38729   3.39007   3.39904
 Alpha virt. eigenvalues --    3.40128   3.40772   3.41350   3.41774   3.42156
 Alpha virt. eigenvalues --    3.42506   3.42651   3.42945   3.43322   3.43676
 Alpha virt. eigenvalues --    3.44046   3.44276   3.44478   3.44916   3.45387
 Alpha virt. eigenvalues --    3.45808   3.46227   3.46576   3.46789   3.47169
 Alpha virt. eigenvalues --    3.47261   3.47599   3.47780   3.48076   3.48296
 Alpha virt. eigenvalues --    3.48564   3.48814   3.49122   3.49471   3.49699
 Alpha virt. eigenvalues --    3.50225   3.50828   3.50941   3.51449   3.51930
 Alpha virt. eigenvalues --    3.52099   3.53006   3.53111   3.53321   3.54035
 Alpha virt. eigenvalues --    3.54222   3.54478   3.55158   3.55575   3.56089
 Alpha virt. eigenvalues --    3.56568   3.56906   3.57253   3.57424   3.57781
 Alpha virt. eigenvalues --    3.57950   3.58269   3.59044   3.59889   3.60242
 Alpha virt. eigenvalues --    3.60467   3.61049   3.62036   3.62380   3.62867
 Alpha virt. eigenvalues --    3.63262   3.63858   3.64183   3.65415   3.65798
 Alpha virt. eigenvalues --    3.65949   3.66448   3.67000   3.67168   3.67704
 Alpha virt. eigenvalues --    3.68305   3.68588   3.69198   3.69750   3.69959
 Alpha virt. eigenvalues --    3.70569   3.70711   3.71629   3.71971   3.72363
 Alpha virt. eigenvalues --    3.74046   3.74353   3.74819   3.75601   3.75741
 Alpha virt. eigenvalues --    3.76245   3.77125   3.77702   3.78187   3.78774
 Alpha virt. eigenvalues --    3.79043   3.79738   3.79911   3.80853   3.81377
 Alpha virt. eigenvalues --    3.82004   3.82802   3.83548   3.83804   3.84473
 Alpha virt. eigenvalues --    3.85037   3.85161   3.86226   3.86910   3.87174
 Alpha virt. eigenvalues --    3.88316   3.88980   3.89224   3.89897   3.90297
 Alpha virt. eigenvalues --    3.90450   3.90613   3.91236   3.91826   3.91981
 Alpha virt. eigenvalues --    3.92355   3.92532   3.93727   3.93916   3.94344
 Alpha virt. eigenvalues --    3.94949   3.95048   3.95591   3.95954   3.96368
 Alpha virt. eigenvalues --    3.96573   3.97614   3.98314   3.98342   3.99480
 Alpha virt. eigenvalues --    3.99972   4.00261   4.00560   4.01093   4.01112
 Alpha virt. eigenvalues --    4.01961   4.02554   4.03387   4.04108   4.04538
 Alpha virt. eigenvalues --    4.04676   4.04793   4.05597   4.06070   4.06506
 Alpha virt. eigenvalues --    4.06714   4.07215   4.07983   4.08198   4.08505
 Alpha virt. eigenvalues --    4.08848   4.09444   4.09922   4.10425   4.10603
 Alpha virt. eigenvalues --    4.10713   4.11269   4.11894   4.12304   4.12894
 Alpha virt. eigenvalues --    4.13195   4.13537   4.14024   4.14308   4.14667
 Alpha virt. eigenvalues --    4.14827   4.14993   4.15569   4.15733   4.16103
 Alpha virt. eigenvalues --    4.16208   4.17038   4.17790   4.18684   4.19057
 Alpha virt. eigenvalues --    4.19283   4.19855   4.19931   4.20401   4.20581
 Alpha virt. eigenvalues --    4.20790   4.20957   4.21345   4.21767   4.21902
 Alpha virt. eigenvalues --    4.22353   4.23076   4.24125   4.24645   4.24858
 Alpha virt. eigenvalues --    4.24997   4.25639   4.26345   4.26736   4.27337
 Alpha virt. eigenvalues --    4.27690   4.28212   4.28319   4.29142   4.29571
 Alpha virt. eigenvalues --    4.29734   4.30005   4.30631   4.31299   4.31453
 Alpha virt. eigenvalues --    4.31749   4.32703   4.33129   4.33685   4.34677
 Alpha virt. eigenvalues --    4.35956   4.36580   4.37057   4.37664   4.37889
 Alpha virt. eigenvalues --    4.40214   4.40519   4.42011   4.42270   4.42698
 Alpha virt. eigenvalues --    4.43213   4.43616   4.44235   4.44568   4.44817
 Alpha virt. eigenvalues --    4.45293   4.45975   4.46528   4.46819   4.47037
 Alpha virt. eigenvalues --    4.47514   4.48351   4.49125   4.50079   4.50534
 Alpha virt. eigenvalues --    4.50860   4.51521   4.52577   4.52773   4.53268
 Alpha virt. eigenvalues --    4.53448   4.54686   4.55598   4.55744   4.56953
 Alpha virt. eigenvalues --    4.57853   4.58455   4.58652   4.59095   4.59417
 Alpha virt. eigenvalues --    4.59607   4.59843   4.60133   4.60258   4.60840
 Alpha virt. eigenvalues --    4.61014   4.61280   4.62001   4.62207   4.62786
 Alpha virt. eigenvalues --    4.63336   4.64098   4.64866   4.65237   4.65617
 Alpha virt. eigenvalues --    4.65871   4.66086   4.66654   4.67787   4.68300
 Alpha virt. eigenvalues --    4.69183   4.69391   4.69972   4.70883   4.71459
 Alpha virt. eigenvalues --    4.72816   4.73111   4.74204   4.74578   4.75074
 Alpha virt. eigenvalues --    4.75749   4.76669   4.76914   4.77075   4.77516
 Alpha virt. eigenvalues --    4.78436   4.78500   4.78974   4.79135   4.79745
 Alpha virt. eigenvalues --    4.80710   4.81123   4.81391   4.81539   4.81715
 Alpha virt. eigenvalues --    4.81921   4.81970   4.82348   4.82632   4.82979
 Alpha virt. eigenvalues --    4.83382   4.83710   4.83961   4.84816   4.85425
 Alpha virt. eigenvalues --    4.86082   4.86387   4.86770   4.87354   4.87432
 Alpha virt. eigenvalues --    4.88039   4.88124   4.88544   4.88927   4.89128
 Alpha virt. eigenvalues --    4.89535   4.89945   4.90206   4.90260   4.90727
 Alpha virt. eigenvalues --    4.90900   4.91253   4.91595   4.91851   4.92296
 Alpha virt. eigenvalues --    4.92551   4.92957   4.94476   4.94936   4.95408
 Alpha virt. eigenvalues --    4.95660   4.96099   4.96384   4.96910   4.97475
 Alpha virt. eigenvalues --    4.97614   4.98183   4.98310   4.98641   4.99198
 Alpha virt. eigenvalues --    5.01379   5.01948   5.02022   5.02469   5.02898
 Alpha virt. eigenvalues --    5.03533   5.03605   5.04605   5.05146   5.05193
 Alpha virt. eigenvalues --    5.05923   5.06816   5.07118   5.07696   5.08145
 Alpha virt. eigenvalues --    5.08394   5.09207   5.09382   5.10487   5.11367
 Alpha virt. eigenvalues --    5.12063   5.12535   5.13471   5.14201   5.14466
 Alpha virt. eigenvalues --    5.15456   5.17109   5.17702   5.18685   5.21676
 Alpha virt. eigenvalues --    5.22582   5.23244   5.26963   5.28002   5.28553
 Alpha virt. eigenvalues --    5.28877   5.29205   5.29532   5.30208   5.30783
 Alpha virt. eigenvalues --    5.30963   5.32735   5.33085   5.33148   5.34024
 Alpha virt. eigenvalues --    5.34965   5.35137   5.35598   5.36816   5.37274
 Alpha virt. eigenvalues --    5.37307   5.37957   5.38317   5.39019   5.39194
 Alpha virt. eigenvalues --    5.40057   5.40652   5.41157   5.41384   5.41968
 Alpha virt. eigenvalues --    5.42989   5.43420   5.43922   5.44812   5.45312
 Alpha virt. eigenvalues --    5.45871   5.46357   5.46968   5.47853   5.48325
 Alpha virt. eigenvalues --    5.48642   5.49861   5.50486   5.50823   5.51480
 Alpha virt. eigenvalues --    5.51631   5.52547   5.54102   5.54520   5.55908
 Alpha virt. eigenvalues --    5.56603   5.57987   5.59609   5.60480   5.61216
 Alpha virt. eigenvalues --    5.61998   5.64381   5.66149   5.66627   5.68588
 Alpha virt. eigenvalues --    5.71640   5.72306   5.76990   5.78073   5.80556
 Alpha virt. eigenvalues --    5.80929   5.82284   5.84598   5.85246   5.87367
 Alpha virt. eigenvalues --    5.87703   5.91448   5.94942   5.95912   5.98450
 Alpha virt. eigenvalues --    5.99833   6.01262   6.01981   6.02657   6.03636
 Alpha virt. eigenvalues --    6.07455   6.11063   6.11599   6.12078   6.13898
 Alpha virt. eigenvalues --    6.14772   6.15673   6.16543   6.18556   6.20995
 Alpha virt. eigenvalues --    6.22307   6.22836   6.26241   6.32041   6.34654
 Alpha virt. eigenvalues --    6.41846   6.46377   6.47104   6.50581   6.56785
 Alpha virt. eigenvalues --    6.58149   6.60019   6.61475   6.64386   6.65630
 Alpha virt. eigenvalues --    6.66243   6.71773   6.73251   6.73722   6.74929
 Alpha virt. eigenvalues --    6.78677   6.79843   6.84489   6.85340   6.87460
 Alpha virt. eigenvalues --    6.87536   6.96340   6.98825   7.08742   7.13209
 Alpha virt. eigenvalues --    7.15846   7.16192   7.16910   7.20014   7.20961
 Alpha virt. eigenvalues --    7.22153   7.22999   7.24391   7.25800   7.26239
 Alpha virt. eigenvalues --    7.27190   7.29161   7.30844   7.31337   7.33453
 Alpha virt. eigenvalues --    7.33698   7.34493   7.35953   7.36282   7.36525
 Alpha virt. eigenvalues --    7.37072   7.38586   7.38781   7.39079   7.39327
 Alpha virt. eigenvalues --    7.39893   7.41026   7.41274   7.42964   7.43370
 Alpha virt. eigenvalues --    7.45228   7.46359   7.46551   7.47691   7.47997
 Alpha virt. eigenvalues --    7.48766   7.49199   7.50351   7.52217   7.53266
 Alpha virt. eigenvalues --    7.53681   7.53851   7.56646   7.57206   7.57692
 Alpha virt. eigenvalues --    7.58587   7.59675   7.60025   7.61231   7.61384
 Alpha virt. eigenvalues --    7.62260   7.64202   7.64622   7.65104   7.66615
 Alpha virt. eigenvalues --    7.67717   7.68574   7.69261   7.70762   7.72619
 Alpha virt. eigenvalues --    7.74196   7.75512   7.76707   7.77428   7.78136
 Alpha virt. eigenvalues --    7.79334   7.79976   7.80180   7.80373   7.81854
 Alpha virt. eigenvalues --    7.82038   7.82393   7.83114   7.84221   7.84974
 Alpha virt. eigenvalues --    7.85440   7.86478   7.87446   7.88025   7.88340
 Alpha virt. eigenvalues --    7.88848   7.89056   7.89856   7.90168   7.90731
 Alpha virt. eigenvalues --    7.91038   7.92242   7.92397   7.92750   7.95510
 Alpha virt. eigenvalues --    7.97509   7.98552   7.99749   8.00150   8.02006
 Alpha virt. eigenvalues --    8.02782   8.04911   8.07531   8.08606   8.10096
 Alpha virt. eigenvalues --    8.10853   8.15962   8.17391   8.20507   8.22646
 Alpha virt. eigenvalues --    8.22913   8.26431   8.27054   8.27880   8.28829
 Alpha virt. eigenvalues --    8.29943   8.30537   8.30693   8.31884   8.32286
 Alpha virt. eigenvalues --    8.32949   8.33810   8.34212   8.34685   8.35824
 Alpha virt. eigenvalues --    8.35899   8.36030   8.36140   8.37261   8.37613
 Alpha virt. eigenvalues --    8.38435   8.38955   8.39616   8.39884   8.40069
 Alpha virt. eigenvalues --    8.40264   8.40653   8.41821   8.42125   8.42579
 Alpha virt. eigenvalues --    8.42694   8.43524   8.44221   8.44373   8.44964
 Alpha virt. eigenvalues --    8.45011   8.45202   8.45656   8.46386   8.46643
 Alpha virt. eigenvalues --    8.47638   8.47881   8.48669   8.49807   8.50069
 Alpha virt. eigenvalues --    8.51310   8.52330   8.52736   8.53322   8.53948
 Alpha virt. eigenvalues --    8.54269   8.55751   8.56413   8.56770   8.57764
 Alpha virt. eigenvalues --    8.58578   8.58686   8.58949   8.60074   8.60432
 Alpha virt. eigenvalues --    8.60780   8.61768   8.62511   8.62900   8.63450
 Alpha virt. eigenvalues --    8.63961   8.64282   8.64513   8.64755   8.65305
 Alpha virt. eigenvalues --    8.65394   8.65793   8.66242   8.66376   8.66489
 Alpha virt. eigenvalues --    8.66623   8.67371   8.67920   8.68048   8.68258
 Alpha virt. eigenvalues --    8.68561   8.69154   8.69261   8.70077   8.70756
 Alpha virt. eigenvalues --    8.71113   8.71808   8.72376   8.72877   8.72996
 Alpha virt. eigenvalues --    8.73943   8.75239   8.75404   8.76717   8.77445
 Alpha virt. eigenvalues --    8.77641   8.79104   8.80736   8.81458   8.82884
 Alpha virt. eigenvalues --    8.84967   8.87174   8.87193   8.89317   8.91506
 Alpha virt. eigenvalues --    8.94965   9.04619   9.22041   9.25701   9.26380
 Alpha virt. eigenvalues --    9.27230   9.28885   9.32398   9.35104   9.38108
 Alpha virt. eigenvalues --    9.38414   9.38901   9.48283   9.50757   9.51443
 Alpha virt. eigenvalues --    9.53274   9.55296   9.55878   9.57796   9.57857
 Alpha virt. eigenvalues --    9.59687   9.60054   9.62194   9.62945   9.63477
 Alpha virt. eigenvalues --    9.67201   9.67404   9.68633   9.68756   9.70370
 Alpha virt. eigenvalues --    9.71365   9.72021   9.72769   9.73330   9.74367
 Alpha virt. eigenvalues --    9.74653   9.75259   9.75506   9.75739   9.75879
 Alpha virt. eigenvalues --    9.76493   9.77530   9.77832   9.81632   9.82607
 Alpha virt. eigenvalues --   10.41763  10.42936  10.44151  10.44309  10.46006
 Alpha virt. eigenvalues --   10.47105  10.51846  10.52071  10.53021  10.53591
 Alpha virt. eigenvalues --   10.54289  10.55075  10.57771  10.58937  10.59956
 Alpha virt. eigenvalues --   10.60324  10.66309  10.66596  10.68525  10.82425
 Alpha virt. eigenvalues --   10.83567  10.84584  10.85399  10.86721  11.06241
 Alpha virt. eigenvalues --   11.07180  11.09363  11.12732  11.15352  11.19478
 Alpha virt. eigenvalues --   11.22195  11.23303  11.26380  11.31523  11.33190
 Alpha virt. eigenvalues --   11.36258  11.37411  11.38797  11.48375  11.51290
 Alpha virt. eigenvalues --   11.82739  11.83816  11.85254  14.42605  14.43857
 Alpha virt. eigenvalues --   14.45281  14.47546  14.48346  14.49198  14.51614
 Alpha virt. eigenvalues --   14.56591  14.60589  14.62806  14.63296  14.65226
 Alpha virt. eigenvalues --   14.66099  14.66581  14.72032  14.75649  14.76090
 Alpha virt. eigenvalues --   14.80128  14.87839  14.97942  15.07451  15.08893
 Alpha virt. eigenvalues --   15.11077  15.25938  15.51057  15.59748  15.60354
 Alpha virt. eigenvalues --   15.62802  15.68601  15.74621  15.77501  15.86276
 Alpha virt. eigenvalues --   24.89545  24.90041  24.91226  24.94582  25.00080
 Alpha virt. eigenvalues --   25.01238  25.67405  25.67765  25.69593  25.70389
 Alpha virt. eigenvalues --   25.70626  25.72653  25.77415  25.77927  25.79938
 Alpha virt. eigenvalues --   25.83823  25.84587  25.99658  26.11643  26.14887
 Alpha virt. eigenvalues --   26.21897  26.24631  26.25671  26.31655  35.29266
 Alpha virt. eigenvalues --   36.18169  36.19262  36.19442  36.70218  36.71265
 Alpha virt. eigenvalues --   36.71725  36.72747  36.74514  45.08982  45.10405
 Alpha virt. eigenvalues --   45.14270  50.29479  50.32885  50.35434  50.46070
 Alpha virt. eigenvalues --   50.62962 188.56879 980.04344
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C   -0.350028
     2  C    0.244899
     3  C    0.888071
     4  C   -0.125524
     5  N   -1.117400
     6  C    0.355189
     7  N   -0.937199
     8  C    0.116027
     9  C   -0.003104
    10  C    0.124040
    11  C    0.544198
    12  O   -0.687207
    13  O   -0.850984
    14  C   -0.128969
    15  C    0.238486
    16  C    0.525474
    17  C    0.037208
    18  N   -1.102953
    19  C    0.613216
    20  N   -0.893674
    21  C   -0.203430
    22  C    0.150304
    23  C    0.555425
    24  C    0.044803
    25  N   -1.110357
    26  C    0.669644
    27  N   -1.190739
    28  Zn   4.177533
    29  H    0.038408
    30  H    0.082892
    31  H   -0.005763
    32  H   -0.054391
    33  H    0.006083
    34  H   -0.076793
    35  H    0.398330
    36  H    0.023110
    37  H   -0.277987
    38  H    0.012567
    39  H   -0.046645
    40  H    0.066952
    41  H   -0.002311
    42  H   -0.091558
    43  H    0.050513
    44  H    0.036230
    45  H    0.070085
    46  H    0.016653
    47  H   -0.001836
    48  H    0.008339
    49  H   -0.187048
    50  H    0.399374
    51  H   -0.031994
    52  H    0.031706
    53  H    0.002077
    54  H    0.063048
    55  H   -0.019572
    56  H    0.037476
    57  H   -0.161250
    58  H    0.367382
    59  H   -0.048378
    60  O   -1.298811
    61  H    0.629957
    62  H    0.947854
    63  C    0.745157
    64  O   -0.711075
    65  N   -0.947365
    66  C    0.476141
    67  C    0.626055
    68  O   -0.762932
    69  N   -0.832510
    70  H    0.027867
    71  H   -0.040335
    72  H    0.308673
    73  H    0.282219
    74  C    0.310905
    75  H   -0.065043
    76  H    0.006345
    77  H    0.160087
    78  C   -0.200515
    79  H    0.038768
    80  H    0.042244
    81  H   -0.032335
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.234491
     2  C    0.196591
     3  C    0.888071
     4  C   -0.202317
     5  N   -0.719071
     6  C    0.378299
     7  N   -0.937199
     8  C   -0.196038
     9  C    0.061536
    10  C    0.082994
    11  C    0.544198
    12  O   -0.687207
    13  O   -0.850984
    14  C   -0.006001
    15  C    0.244989
    16  C    0.525474
    17  C   -0.149840
    18  N   -0.703579
    19  C    0.581223
    20  N   -0.893674
    21  C   -0.106598
    22  C    0.168208
    23  C    0.555425
    24  C   -0.116447
    25  N   -0.742975
    26  C    0.621266
    27  N   -1.190739
    28  Zn   4.177533
    60  O    0.279000
    63  C    0.745157
    64  O   -0.711075
    65  N   -0.638693
    66  C    0.463672
    67  C    0.626055
    68  O   -0.762932
    69  N   -0.550291
    74  C    0.412294
    78  C   -0.151838
 Electronic spatial extent (au):  <R**2>=          20273.0166
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             11.8952    Y=             -1.1238    Z=             -3.6346  Tot=             12.4887
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -170.1333   YY=           -154.0093   ZZ=           -174.7338
   XY=             12.3423   XZ=             10.3846   YZ=             -2.4176
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.8412   YY=             12.2828   ZZ=             -8.4416
   XY=             12.3423   XZ=             10.3846   YZ=             -2.4176
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            264.9695  YYY=            199.8812  ZZZ=             29.9262  XYY=             84.9669
  XXY=              1.7934  XXZ=           -104.8815  XZZ=             89.8884  YZZ=           -105.4593
  YYZ=             33.9284  XYZ=             42.0003
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -11142.2468 YYYY=          -6460.0441 ZZZZ=          -5121.0605 XXXY=             16.3156
 XXXZ=           -187.2340 YYYX=            152.8584 YYYZ=             -3.3829 ZZZX=            187.6079
 ZZZY=           -222.7931 XXYY=          -2937.8135 XXZZ=          -2640.9620 YYZZ=          -1864.8608
 XXYZ=            183.1014 YYXZ=             59.6616 ZZXY=             72.5073
 N-N= 5.624150107424D+03 E-N=-1.957547085151D+04  KE= 3.521970704857D+03
 1\1\GINC-LONG-70A4001LUX\SP\RB3PW91\6-311++G(3df,3pd)\C24H43N8O5Zn1(1+
 )\LONG\25-Jun-2020\0\\# b3pw91/6-311++g(3df,3pd) geom=connectivity\\5h
 8x\\1,1\C,-1,-4.071676,2.539987,3.559478\C,0,-3.329812,1.181516,3.6534
 66\C,0,-2.082303,1.111211,2.816788\C,0,-1.696757,0.256559,1.794772\N,0
 ,-1.006829,2.001244,2.970207\C,0,-0.029467,1.668554,2.064629\N,0,-0.41
 5828,0.612177,1.334444\C,-1,-5.230281,0.898731,0.146722\C,0,-5.867219,
 -0.172435,-0.765642\C,0,-5.23968,-1.575533,-0.577339\C,0,-3.757422,-1.
 573892,-0.942664\O,0,-3.362825,-1.07658,-2.049695\O,0,-2.909955,-2.072
 415,-0.03832\C,-1,-2.267388,4.237826,-2.983161\C,0,-0.994394,3.840552,
 -3.759546\C,0,-0.192763,2.764138,-3.075825\C,0,-0.321159,2.122473,-1.8
 53426\N,0,0.931688,2.168319,-3.673058\C,0,1.430576,1.208368,-2.827193\
 N,0,0.69177,1.158458,-1.710377\C,-1,4.685979,4.003301,1.488201\C,0,5.1
 60803,2.624947,1.997493\C,0,4.192422,1.525585,1.652107\C,0,3.202803,1.
 432622,0.683826\N,0,4.13439,0.301592,2.33773\C,0,3.135265,-0.469318,1.
 787738\N,0,2.554454,0.19395,0.782327\Zn,0,0.75944,-0.394874,-0.223311\
 H,0,-4.985264,2.515603,4.16489\H,0,-4.353547,2.760373,2.523943\H,0,-3.
 454918,3.370391,3.930479\H,0,-3.997861,0.378548,3.324042\H,0,-3.088776
 ,0.972144,4.706657\H,0,-2.24861,-0.56504,1.360734\H,0,-0.966688,2.7668
 45,3.630251\H,0,0.908249,2.191398,1.973915\H,0,-4.160131,1.010489,-0.0
 69086\H,0,-5.341301,0.626459,1.206095\H,0,-5.711178,1.874956,-0.002507
 \H,0,-6.945967,-0.234649,-0.563409\H,0,-5.745818,0.121329,-1.81552\H,0
 ,-5.352802,-1.925368,0.455199\H,0,-5.753839,-2.290563,-1.235269\H,0,-2
 .9366,3.378492,-2.858238\H,0,-2.813195,5.016926,-3.526705\H,0,-2.02083
 8,4.631973,-1.989202\H,0,-1.282077,3.492841,-4.763131\H,0,-0.365544,4.
 731931,-3.907066\H,0,-1.07473,2.260315,-1.096491\H,0,1.295512,2.391806
 ,-4.590795\H,0,2.265832,0.562675,-3.042068\H,0,4.579957,4.009197,0.396
 592\H,0,3.720203,4.277514,1.929444\H,0,5.413682,4.778232,1.753614\H,0,
 5.296461,2.667124,3.088195\H,0,6.149984,2.402328,1.570906\H,0,2.915463
 ,2.155795,-0.061252\H,0,4.721652,0.036754,3.118556\H,0,2.844333,-1.449
 946,2.126901\O,0,-0.792369,-1.393411,-1.07002\H,0,-1.227535,-1.055513,
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 H,0,4.96965,-3.44888,-1.62136\\Version=ES64L-G09RevD.01\State=1-A\HF=-
 3533.8341181\RMSD=6.179e-10\Dipole=4.6799169,0.4421337,1.4299801\Quadr
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    WHAT WE HAVE LEARNED
 IS LIKE A HANDFUL OF EARTH;
  WHAT WE HAVE YET TO LEARN
   IS LIKE THE WHOLE WORLD.

         -- AVVAYIAR
 Job cpu time:       4 days 10 hours 10 minutes 20.4 seconds.
 File lengths (MBytes):  RWF=   2704 Int=      0 D2E=      0 Chk=    183 Scr=      1
 Normal termination of Gaussian 09 at Thu Jun 25 09:43:32 2020.
